HMDB0031730 RDKit 3D 3,5,5-Trimethylhexanal 28 27 0 0 0 0 0 0 0 0999 V2000 1.2930 0.5168 -1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 -0.1300 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 0.8658 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 0.2031 1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 -0.9496 1.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.9060 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 -0.2696 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 0.7986 1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 0.2390 -1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -1.3917 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 -0.2070 -2.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 1.4114 -1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 0.8880 -2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.8808 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 1.8117 0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 1.1345 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 0.7338 2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -1.4410 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.7244 -0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 0.8462 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 1.8117 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 0.5057 2.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.0823 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 1.3535 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 -0.1323 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 -1.1789 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 -2.3793 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9478 -1.4469 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 2 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 6 18 1 0 6 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 M END